(2S,5S)-1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2,5-dimethylpiperidine-4-carboxamide

C25H27Cl2N5O3 — CID 163295485

About (2S,5S)-1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2,5-dimethylpiperidine-4-carboxamide

(2S,5S)-1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2,5-dimethylpiperidine-4-carboxamide (PubChem CID 163295485) has the molecular formula C25H27Cl2N5O3 and a molecular weight of 516.43 g/mol. Its IUPAC name is (2S,5S)-1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2,5-dimethylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: (2S,5S)-1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2,5-dimethylpiperidine-4-carboxamide
• PubChem CID: 163295485
• Molecular Formula: C25H27Cl2N5O3
• Molecular Weight: 516.43 g/mol
• Exact Mass: 515.15
• IUPAC Name: (2S,5S)-1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2,5-dimethylpiperidine-4-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)N3C[C@@H](C)C(C(=O)NCc4cccc(Cl)c4)C[C@@H]3C)[nH]n2)c(Cl)cn1
• InChI: InChI=1S/C25H27Cl2N5O3/c1-14-13-32(15(2)7-18(14)24(33)29-11-16-5-4-6-17(26)8-16)25(34)22-10-21(30-31-22)19-9-23(35-3)28-12-20(19)27/h4-6,8-10,12,14-15,18H,7,11,13H2,1-3H3,(H,29,33)(H,30,31)/t14-,15+,18?/m1/s1
• InChIKey: WZKUGACZOGTRTG-ZCZZTKKGSA-N
• XLogP: 4.59
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.43
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2,5-dimethylpiperidine-4-carboxamide?

The IUPAC name of (2S,5S)-1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2,5-dimethylpiperidine-4-carboxamide (CID 163295485) is (2S,5S)-1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2,5-dimethylpiperidine-4-carboxamide.

What is the SMILES notation for (2S,5S)-1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2,5-dimethylpiperidine-4-carboxamide?

The canonical SMILES for (2S,5S)-1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2,5-dimethylpiperidine-4-carboxamide is COc1cc(-c2cc(C(=O)N3C[C@@H](C)C(C(=O)NCc4cccc(Cl)c4)C[C@@H]3C)[nH]n2)c(Cl)cn1.

What is the InChIKey of (2S,5S)-1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2,5-dimethylpiperidine-4-carboxamide?

The InChIKey is WZKUGACZOGTRTG-ZCZZTKKGSA-N. The full InChI is InChI=1S/C25H27Cl2N5O3/c1-14-13-32(15(2)7-18(14)24(33)29-11-16-5-4-6-17(26)8-16)25(34)22-10-21(30-31-22)19-9-23(35-3)28-12-20(19)27/h4-6,8-10,12,14-15,18H,7,11,13H2,1-3H3,(H,29,33)(H,30,31)/t14-,15+,18?/m1/s1.

What are the key properties of (2S,5S)-1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2,5-dimethylpiperidine-4-carboxamide?

(2S,5S)-1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2,5-dimethylpiperidine-4-carboxamide has a molecular weight of 516.43 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S)-1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2,5-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 163295485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).